1RWQ

Human Dipeptidyl peptidase IV in complex with 5-aminomethyl-6-(2,4-dichloro-phenyl)-2-(3,5-dimethoxy-phenyl)-pyrimidin-4-ylamine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	90
Detector technology	IMAGE PLATE
Collection date	2001-11-13
Detector	HENDRIX-LENTFER
Wavelength(s)	0.91
Spacegroup name	P 21 21 21
Unit cell lengths	65.676, 69.141, 422.559
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	15.000 - 2.200
R-factor	0.24123
Rwork	0.239
R-free	0.28958
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.021
RMSD bond angle	2.186
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	15.000	2.300
High resolution limit [Å]	2.200	2.200
Number of reflections	79169
Completeness [%]	84.3	64.2
Redundancy	3.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	22% PEG 3350, 200mM MgCl2, Tris, 15% glycerol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K